Molecular Properties | |
SMILES: | CC(NC(=O)c1cncnc1)(C(=O)O)c1ccccc1Br |
MW: | 349.01 |
Fraction sp3: | 0.14 |
HBA: | 4 |
HBD: | 2 |
Rotatable Bonds: | 4 |
TPSA: | 92.18 |
cLogP: | 1.97 |
Covalent Warhead: | ✗ |
Covalent Fragment: | ✗ |
Filter9_metal
aryl bromide
MAR-TRE-8190bb11-62
0.661
MAR-TRE-8190bb11-22
0.619
MAR-TRE-4f781e27-78
0.557
MAR-TRE-8190bb11-92
0.552
MAR-TRE-4f781e27-74
0.530
MAR-TRE-c317dd82-76
0.522
MAR-TRE-66ac689e-75
0.508
MAR-TRE-8190bb11-36
0.485
MAR-TRE-66ac689e-23
0.485
MAR-TRE-66ac689e-70
0.485
MAR-TRE-66ac689e-14
0.485
MAR-TRE-be9ff7d2-65
0.477
MAR-TRE-92684b97-50
0.426
MAR-TRE-66ac689e-86
0.420
MAR-TRE-799db12b-41
0.414
MAR-TRE-8190bb11-74
0.411
MAR-TRE-4f781e27-86
0.403
MAR-TRE-be9ff7d2-28
0.400
MAR-TRE-a9136c7b-81
0.397
MAR-TRE-92684b97-99
0.394
MAR-TRE-92684b97-26
0.394
MAR-TRE-4f781e27-17
0.389
MAR-TRE-4f781e27-91
0.389
MAR-TRE-e82e6c98-9
0.370
MAR-TRE-4f781e27-19
0.370
MAR-TRE-8190bb11-58
0.368
MAR-TRE-799db12b-44
0.364
MAR-TRE-e82e6c98-11
0.360
MAR-TRE-799db12b-66
0.360
MAR-TRE-8190bb11-85
0.357
MAR-TRE-a9136c7b-45
0.354
MAR-TRE-e82e6c98-15
0.352
MAR-TRE-92684b97-63
0.352
MAR-TRE-799db12b-75
0.350
MAR-TRE-92684b97-78
0.348
MAR-TRE-9d18ae8c-42
0.347
MAR-TRE-799db12b-90
0.346
MAR-TRE-9d18ae8c-25
0.342
MAR-TRE-8190bb11-24
0.338
MAR-TRE-e82e6c98-39
0.338
MAR-TRE-92684b97-40
0.338
MAR-TRE-4f781e27-87
0.338
MAR-TRE-8190bb11-77
0.338
MAR-TRE-9d18ae8c-81
0.338
MAR-TRE-8190bb11-54
0.333
MAR-TRE-4f781e27-79
0.333
MAR-TRE-c317dd82-82
0.333
MAR-TRE-9d18ae8c-72
0.333
MAR-TRE-a9136c7b-92
0.333
MAR-TRE-e82e6c98-68
0.333
MAR-TRE-66ac689e-73
0.333
MAR-TRE-8190bb11-72
0.333
MAR-TRE-4f781e27-83
0.329
MAR-TRE-799db12b-70
0.329
MAR-TRE-92684b97-38
0.329
MAR-TRE-8190bb11-51
0.329
MAR-TRE-92684b97-11
0.329
MAR-TRE-8190bb11-13
0.329
MAR-TRE-92684b97-66
0.329
MAR-TRE-9d18ae8c-39
0.329
MAR-TRE-9d18ae8c-6
0.325
MAR-TRE-4f781e27-30
0.325
MAR-TRE-92684b97-34
0.325
MAR-TRE-4f781e27-28
0.325
MAR-TRE-92684b97-83
0.325
MAR-TRE-be9ff7d2-63
0.324
MAR-TRE-8190bb11-42
0.324
MAR-TRE-92684b97-35
0.324
MAR-TRE-4f781e27-73
0.324
MAR-TRE-9d18ae8c-61
0.324
MAR-TRE-9d18ae8c-43
0.321
MAR-TRE-92684b97-96
0.321
MAR-TRE-92684b97-28
0.321
MAR-TRE-8190bb11-3
0.321
MAR-TRE-8190bb11-82
0.321
MAR-TRE-4f781e27-54
0.321
MAR-TRE-92684b97-54
0.321
MAR-TRE-92684b97-51
0.320
MAR-TRE-4f781e27-62
0.320
MAR-TRE-8190bb11-11
0.320
MAR-TRE-9d18ae8c-21
0.320
MAR-TRE-8190bb11-57
0.320
MAR-TRE-9d18ae8c-73
0.320
MAR-TRE-8190bb11-91
0.319
MAR-TRE-4f781e27-49
0.319
MAR-TRE-9d18ae8c-18
0.317
MAR-TRE-66ac689e-71
0.316
MAR-TRE-66ac689e-37
0.316
MAR-TRE-799db12b-23
0.316
MAR-TRE-e82e6c98-89
0.316
MAR-TRE-8190bb11-53
0.316
MAR-TRE-e82e6c98-30
0.315
MAR-TRE-4f781e27-94
0.314
MAR-TRE-799db12b-78
0.313
MAR-TRE-9d18ae8c-52
0.313
MAR-TRE-4f781e27-48
0.313
MAR-TRE-9d18ae8c-51
0.313
MAR-TRE-8190bb11-40
0.312
MAR-TRE-4f781e27-51
0.312
MAR-TRE-9d18ae8c-53
0.312